2-bromo-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

C7H8BrNS — CID 19365868

IUPAC2-bromo-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESBrc1cc2c(s1)CCNC2
InChIInChI=1S/C7H8BrNS/c8-7-3-5-4-9-2-1-6(5)10-7/h3,9H,1-2,4H2
InChIKeyDOZQOZIGEUPNHN-UHFFFAOYSA-N
MW218.12 g/mol
LogP2.16
Rot. Bonds

About 2-bromo-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

2-bromo-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (PubChem CID 19365868) has the molecular formula C7H8BrNS and a molecular weight of 218.12 g/mol. Its IUPAC name is 2-bromo-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.

Molecular Properties

Compound Name2-bromo-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
PubChem CID19365868
Molecular FormulaC7H8BrNS
Molecular Weight218.12 g/mol
Exact Mass216.96
IUPAC Name2-bromo-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESBrc1cc2c(s1)CCNC2
InChIInChI=1S/C7H8BrNS/c8-7-3-5-4-9-2-1-6(5)10-7/h3,9H,1-2,4H2
InChIKeyDOZQOZIGEUPNHN-UHFFFAOYSA-N
XLogP2.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.12
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The IUPAC name of 2-bromo-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (CID 19365868) is 2-bromo-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.
What is the SMILES notation for 2-bromo-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The canonical SMILES for 2-bromo-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is Brc1cc2c(s1)CCNC2.
What is the InChIKey of 2-bromo-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The InChIKey is DOZQOZIGEUPNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNS/c8-7-3-5-4-9-2-1-6(5)10-7/h3,9H,1-2,4H2.
What are the key properties of 2-bromo-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
2-bromo-4,5,6,7-tetrahydrothieno[3,2-c]pyridine has a molecular weight of 218.12 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is sourced from PubChem (CID 19365868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).